2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine

C16H22FNO — CID 102876471

IUPAC2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCC(C2CC2)C2CC2)c(F)c1
InChIInChI=1S/C16H22FNO/c1-19-14-7-6-13(16(17)8-14)9-18-10-15(11-2-3-11)12-4-5-12/h6-8,11-12,15,18H,2-5,9-10H2,1H3
InChIKeyANMPOCIMVXOYMZ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.36
Rot. Bonds7

About 2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine

2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 102876471) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
PubChem CID102876471
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCC(C2CC2)C2CC2)c(F)c1
InChIInChI=1S/C16H22FNO/c1-19-14-7-6-13(16(17)8-14)9-18-10-15(11-2-3-11)12-4-5-12/h6-8,11-12,15,18H,2-5,9-10H2,1H3
InChIKeyANMPOCIMVXOYMZ-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876292
2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol
CID 63298601
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 83310423
2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876414
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 167530984
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol
CID 102876481
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine
CID 102876339
2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876306
N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine
CID 107814945
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
CID 102883068
1-(1,1-dioxothiolan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876520

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine (CID 102876471) is 2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine is COc1ccc(CNCC(C2CC2)C2CC2)c(F)c1.
What is the InChIKey of 2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is ANMPOCIMVXOYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-19-14-7-6-13(16(17)8-14)9-18-10-15(11-2-3-11)12-4-5-12/h6-8,11-12,15,18H,2-5,9-10H2,1H3.
What are the key properties of 2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine has a molecular weight of 263.36 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 102876471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).